2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol

C24H30F3N3O2S — CID 15774

IUPAC2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C24H30F3N3O2S/c25-24(26,27)19-6-7-23-21(18-19)30(20-4-1-2-5-22(20)33-23)9-3-8-28-10-12-29(13-11-28)14-16-32-17-15-31/h1-2,4-7,18,31H,3,8-17H2
InChIKeyBQVKHSWJSBZCTN-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.32
Rot. Bonds9

About 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 15774) has the molecular formula C24H30F3N3O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID15774
Molecular FormulaC24H30F3N3O2S
Molecular Weight481.58 g/mol
Exact Mass481.20
IUPAC Name2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C24H30F3N3O2S/c25-24(26,27)19-6-7-23-21(18-19)30(20-4-1-2-5-22(20)33-23)9-3-8-28-10-12-29(13-11-28)14-16-32-17-15-31/h1-2,4-7,18,31H,3,8-17H2
InChIKeyBQVKHSWJSBZCTN-UHFFFAOYSA-N
XLogP4.32
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol (CID 15774) is 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is BQVKHSWJSBZCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O2S/c25-24(26,27)19-6-7-23-21(18-19)30(20-4-1-2-5-22(20)33-23)9-3-8-28-10-12-29(13-11-28)14-16-32-17-15-31/h1-2,4-7,18,31H,3,8-17H2.
What are the key properties of 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 481.58 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 15774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).